6-methyl-2-[2-(2-methylphenyl)ethanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-methyl-2-[2-(2-methylphenyl)ethanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-methyl-2-[[2-(o-tolyl)acetyl]amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-methyl-2-[[2-(2-methylphenyl)-1-oxoethyl]amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-methyl-2-[[2-(2-methylphenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-[[2-(o-tolyl)acetyl]amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)CC4=CC=CC=C4C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)CC4=CC=CC=C4C

InChI

InChI=1S/C25H27N3O2S/c1-16-9-10-20-21(12-16)31-25(28-22(29)13-19-8-4-3-6-17(19)2)23(20)24(30)27-15-18-7-5-11-26-14-18/h3-8,11,14,16H,9-10,12-13,15H2,1-2H3,(H,27,30)(H,28,29)